Geometry & MOs

Info

ID:	176123
PubChem CID:	75999272
Reduced:	SO2N7H15C16 (1)
Stoich.:	AB2C7D15E16 (1)
Weight, g/mol:	447.147744
ΔH_f, kcal/mol:	98.73
Dipole, Da:	4.62
IP(EA), eV:	-8.73(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)pyridin-2-yl]sulfanyl-N-(3-ethyloxadiazol-3-ium-5-yl)ethanimidate

Drug info:

PubChemData

Smile

CC(C)[N+]1=NOC(=C1)N=C(CSC2=NC3=C(C4=CC=CC=C4N3)N=N2)[O-]

DOS

IR

Vibrations